In situ synthesis and dynamic simulation of molecularly imprinted polymeric nanoparticles on a micro-reactor system

Özgecan Erdem, Ismail Eş, Yeşeren Saylan, Maryam Atabay, Murat Alp Gungen, Kadriye Ölmez, Adil Denizli and Fatih Inci ()
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Özgecan Erdem: Bilkent University
Ismail Eş: Bilkent University
Yeşeren Saylan: Hacettepe University
Maryam Atabay: Bilkent University
Murat Alp Gungen: Bilkent University
Kadriye Ölmez: Bilkent University
Adil Denizli: Hacettepe University
Fatih Inci: Bilkent University

Nature Communications, 2023, vol. 14, issue 1, 1-16

Abstract: Abstract Current practices in synthesizing molecularly imprinted polymers face challenges—lengthy process, low-productivity, the need for expensive and sophisticated equipment, and they cannot be controlled in situ synthesis. Herein, we present a micro-reactor for in situ and continuously synthesizing trillions of molecularly imprinted polymeric nanoparticles that contain molecular fingerprints of bovine serum albumin in a short period of time (5-30 min). Initially, we performed COMSOL simulation to analyze mixing efficiency with altering flow rates, and experimentally validated the platform for synthesizing nanoparticles with sizes ranging from 52-106 nm. Molecular interactions between monomers and protein were also examined by molecular docking and dynamics simulations. Afterwards, we benchmarked the micro-reactor parameters through dispersity and concentration of molecularly imprinted polymers using principal component analysis. Sensing assets of molecularly imprinted polymers were examined on a metamaterial sensor, resulting in 81% of precision with high selectivity (4.5 times), and three cycles of consecutive use. Overall, our micro-reactor stood out for its high productivity (48-288 times improvement in assay-time and 2 times improvement in reagent volume), enabling to produce 1.4-1.5 times more MIPs at one-single step, and continuous production compared to conventional strategy.

Date: 2023
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DOI: 10.1038/s41467-023-40413-8

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